pele.takestep.RandomDisplacement#

class pele.takestep.RandomDisplacement(stepsize=1.0)[source]#

Random displacement on each individual coordinate

RandomDisplacement is the most basic step taking routine. It simply displaces each coordinate my a random value.

Parameters:
stepsizefloat

magnitude of random displacement

Methods

__call__(*args, **kwargs)

Call self as a function.

scale(factor)

scale the stepsize

takeStep(coords, **kwargs)

take a step

updateStep(accepted, **kwargs)

feedback from basin hopping if last step was accepted

Attributes